N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide

C17H22BClN4O3 — CID 170808187

IUPACN-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC(=Cc1cnc2ccc(Cl)nn12)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H22BClN4O3/c1-11(24)20-9-12(18-25-16(2,3)17(4,5)26-18)8-13-10-21-15-7-6-14(19)22-23(13)15/h6-8,10H,9H2,1-5H3,(H,20,24)
InChIKeyQPLSNZBRNDUSDX-UHFFFAOYSA-N
MW376.65 g/mol
LogP2.53
Rot. Bonds4

About N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide

N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide (PubChem CID 170808187) has the molecular formula C17H22BClN4O3 and a molecular weight of 376.65 g/mol. Its IUPAC name is N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
PubChem CID170808187
Molecular FormulaC17H22BClN4O3
Molecular Weight376.65 g/mol
Exact Mass376.15
IUPAC NameN-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC(=Cc1cnc2ccc(Cl)nn12)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H22BClN4O3/c1-11(24)20-9-12(18-25-16(2,3)17(4,5)26-18)8-13-10-21-15-7-6-14(19)22-23(13)15/h6-8,10H,9H2,1-5H3,(H,20,24)
InChIKeyQPLSNZBRNDUSDX-UHFFFAOYSA-N
XLogP2.53
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.65
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170809816
N-[3-(2,6-dichloro-4-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808909
N-[3-(5-chloropyrimidin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808857
N-[3-(4-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807382
N-[3-(5-amino-6-chloro-3-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807600
N-[3-(5-chloro-2-fluoro-4-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808906
N-[3-(2,4-dichloro-3-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807711
N-[3-(5-chloro-2-fluorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807527
N-[3-(2,6-dihydroxyphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807548
N-[3-(5,6-difluoro-3-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807705
N-[3-(2-fluoro-4-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807444
N-[3-(2H-benzotriazol-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808130

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide (CID 170808187) is N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide is CC(=O)NCC(=Cc1cnc2ccc(Cl)nn12)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide?
The InChIKey is QPLSNZBRNDUSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BClN4O3/c1-11(24)20-9-12(18-25-16(2,3)17(4,5)26-18)8-13-10-21-15-7-6-14(19)22-23(13)15/h6-8,10H,9H2,1-5H3,(H,20,24).
What are the key properties of N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide?
N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide has a molecular weight of 376.65 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 170808187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).